1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone

C18H31N5O2 — CID 95173794

IUPAC1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone
SMILESCCN1CCN(C(=O)CC2CCN([C@@H](C)c3nnc(C)o3)CC2)CC1
InChIInChI=1S/C18H31N5O2/c1-4-21-9-11-23(12-10-21)17(24)13-16-5-7-22(8-6-16)14(2)18-20-19-15(3)25-18/h14,16H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyYDYYUOIRFSJJMW-AWEZNQCLSA-N
MW349.48 g/mol
LogP1.71
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone

1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone (PubChem CID 95173794) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone
PubChem CID95173794
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone
SMILESCCN1CCN(C(=O)CC2CCN([C@@H](C)c3nnc(C)o3)CC2)CC1
InChIInChI=1S/C18H31N5O2/c1-4-21-9-11-23(12-10-21)17(24)13-16-5-7-22(8-6-16)14(2)18-20-19-15(3)25-18/h14,16H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyYDYYUOIRFSJJMW-AWEZNQCLSA-N
XLogP1.71
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone (CID 95173794) is 1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone is CCN1CCN(C(=O)CC2CCN([C@@H](C)c3nnc(C)o3)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone?
The InChIKey is YDYYUOIRFSJJMW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-4-21-9-11-23(12-10-21)17(24)13-16-5-7-22(8-6-16)14(2)18-20-19-15(3)25-18/h14,16H,4-13H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone has a molecular weight of 349.48 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[1-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 95173794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).